SCHEMBL16774875

SCHEMBL16774875

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2OF)n1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.92

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16752955 0.96 ALK (1.00) ALK
SCHEMBL16752969 0.96 ALK (1.00) ALK
SCHEMBL16752917 0.93 ALK (0.91) ALK
SCHEMBL16752923 0.92 ALK (1.00) ALK
SCHEMBL16752912 0.90 ALK (0.85) ALK
SCHEMBL16752903 0.90 ALK (1.00) ALK
SCHEMBL16752929 0.90 ALK (1.00) ALK
SCHEMBL16752947 0.89 ALK (1.00) ALK
SCHEMBL16769540 0.89 ALK (1.00) ALK
SCHEMBL16769585 0.88 ALK (0.85) ALK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883875-B1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2016-12-28 — — EP disclosed
EP-2883875-A1 N2,N4-BIS(4-(PIPERAZINE-1-YL)PHENYL)PIRIMIDINE-2,4-DIAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER Korea Reserach Institute Of Chemical Technology (KR) 2015-06-17 — — EP disclosed
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